Cas no 6964-70-1 (4,6(1H,5H)-Pyrimidinedione,5-(2-ethoxyethyl)dihydro-2-thioxo-)
6964-70-1 structure
Product Name:4,6(1H,5H)-Pyrimidinedione,5-(2-ethoxyethyl)dihydro-2-thioxo-
CAS No:6964-70-1
MF:C8H12N2O3S
MW:216.257480621338
CID:522313
PubChem ID:3930595
Update Time:2025-04-19
4,6(1H,5H)-Pyrimidinedione,5-(2-ethoxyethyl)dihydro-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4,6(1H,5H)-Pyrimidinedione,5-(2-ethoxyethyl)dihydro-2-thioxo-
- 5-(2-ethoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
- AC1N01I1
- AG-G-71319
- Barbituricacid, 5-(2-ethoxyethyl)-2-thio- (8CI)
- CTK5D0727
- NSC66835
- NSC-66835
- DTXSID00398035
- 6964-70-1
-
- Inchi： 1S/C8H12N2O3S/c1-2-13-4-3-5-6(11)9-8(14)10-7(5)12/h5H,2-4H2,1H3,(H2,9,10,11,12,14)
- InChI Key： NITRACAISJXFAZ-UHFFFAOYSA-N
- SMILES： S=C1NC(C(C(N1)=O)CCOCC)=O
Computed Properties
- Exact Mass: 216.05696
- Monoisotopic Mass: 216.056863
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 247
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.1
- Topological Polar Surface Area: 99.5
Experimental Properties
- Density: 1.31
- Refractive Index: 1.563
- PSA: 67.43
- LogP: 0.21770
4,6(1H,5H)-Pyrimidinedione,5-(2-ethoxyethyl)dihydro-2-thioxo- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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